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89180-61-0 | Isoxazole-3-carbaldehyde
CAS No: 89180-61-0 Catalog No: AG00369I MDL No:MFCD06739019
Product Description
Catalog Number:
AG00369I
Chemical Name:
Isoxazole-3-carbaldehyde
CAS Number:
89180-61-0
Molecular Formula:
C4H3NO2
Molecular Weight:
97.0721
MDL Number:
MFCD06739019
IUPAC Name:
1,2-oxazole-3-carbaldehyde
InChI:
InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H
InChI Key:
WNVZOHNNPDZYFN-UHFFFAOYSA-N
SMILES:
O=Cc1ccon1
Properties
Complexity:
74.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.016g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.073g/mol
Monoisotopic Mass:
97.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Functional attenuation of human sperm by novel, non-surfactant spermicides: precise targeting of membrane physiology without affecting structure. | Human reproduction (Oxford, England) 20100501 |
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